6-methyl-2-(methylthio)-4-pyrimidinethiol
TL;DR: 6-methyl-2-(methylthio)-4-pyrimidinethiol (CAS 6310-04-9) is a chemical compound with molecular formula C6H8N2S2 and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-methylsulfanyl-1H-pyrimidine-4-thione
Also Known As: 6-methyl-2-(methylthio)-4-pyrimidinethiol, 6-methyl-2-(methylsulfanyl)pyrimidine-4-thiol, 6-methyl-2-methylsulfanyl-1H-pyrimidine-4-thione, 6-Methyl-2-(methylthio)pyrimidine-4(3H)-thione, 4(3H)-Pyrimidinethione, 6-methyl-2-(methylthio)-
| Molecular Formula | C6H8N2S2 |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 2.16951 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.0129 |
| Heavy Atoms | 10 |
| Complexity | 279.32147 |
Chemical Identifiers
| CAS Number | 6310-04-9 |
|---|---|
| SMILES | CC1=CC(=S)N=C(N1)SC |
Product Overview
6-methyl-2-(methylthio)-4-pyrimidinethiol (CAS 6310-04-9), with molecular formula C6H8N2S2 and molecular weight 172.01 g/mol. IUPAC: 6-methyl-2-methylsulfanyl-1H-pyrimidine-4-thione.
Chemical Property Profile of 6-methyl-2-(methylthio)-4-pyrimidinethiol
Property Insights of 6-methyl-2-(methylthio)-4-pyrimidinethiol
The XLogP value of 2.16951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-2-(methylthio)-4-pyrimidinethiol. With a topological polar surface area (TPSA) of 28.68 Ų, 6-methyl-2-(methylthio)-4-pyrimidinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-2-(methylthio)-4-pyrimidinethiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-methyl-2-(methylthio)-4-pyrimidinethiol?
The CAS number of 6-methyl-2-(methylthio)-4-pyrimidinethiol is 6310-04-9.
What is the molecular formula of 6-methyl-2-(methylthio)-4-pyrimidinethiol?
The molecular formula of 6-methyl-2-(methylthio)-4-pyrimidinethiol is C6H8N2S2.
What is the molecular weight of 6-methyl-2-(methylthio)-4-pyrimidinethiol?
The molecular weight of 6-methyl-2-(methylthio)-4-pyrimidinethiol is 172.01 g/mol.
Where can I buy 6-methyl-2-(methylthio)-4-pyrimidinethiol?
You can request a quote for 6-methyl-2-(methylthio)-4-pyrimidinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-2-(methylthio)-4-pyrimidinethiol?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-(methylthio)-4-pyrimidinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.